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Instruments / Technical Area	Publication Details	Published
I19-Small Molecule Single Crystal Diffraction	An [FeIII30] molecular metal oxide Alice E. Dearle , Daniel J. Cutler , Marco Coletta , Edward Lee , Sourav Dey , Sergio Sanz , Hector W. L. Fraser , Gary Nichol , Gopalan Rajaraman , Jürgen Schnack , Leroy Cronin , Euan K. Brechin Chemical Communications 58, 52-55 DOI: 10.1039/D1CC06224G Diamond Proposal Number(s): [22240] Open Access Show Abstract ▼ Abstract: Dissolution of FeBr3 in a mixture of acetonitrile and 3,4-lutidine in the presence of an amine results in the formation of an [Fe30] molecular metal oxide containing alternating layers of tetrahedral and octahedral FeIII ions. Mass spectrometry suggests the cluster is formed quickly and remains stable in solution, while magnetic measurements and DFT calculations reveal competing antiferromagnetic exchange interactions.	Nov 2021
I19-Small Molecule Single Crystal Diffraction	A [Mn18] wheel-of-wheels Marco Coletta , Thomais G. Tziotzi , Mark Gray , Gary S. Nichol , Mukesh K. Singh , Constantinos J. Milios , Euan K. Brechin Chemical Communications 116, 4122-4125 DOI: 10.1039/D1CC00185J Diamond Proposal Number(s): [22240] Open Access Show Abstract ▼ Abstract: A [Mn18] wheel of wheels is obtained from the reaction of MnBr2·4H2O and LH3 in MeOH. The metallic skeleton reveals two asymmetric [MnIII6MnII2] square wheels connected into a larger wheel via two MnII ions. Magnetic susceptibility and magnetisation data reveal competing exchange interactions, supported by computational studies.	Mar 2021
I19-Small Molecule Single Crystal Diffraction	Kinetic selection of Pd4L2 metallocyclic and Pd6L3 trigonal prismatic assemblies Helen O'Connor , Marco Coletta , Alvaro Etcheverry-Berríos , Gary Nichol , Euan Brechin , Paul Lusby Chemical Communications 56, 11799-11802 DOI: 10.1039/D0CC05311B Diamond Proposal Number(s): [22240] Open Access Show Abstract ▼ Abstract: The self-assembly of Pd4L2 metallocylcic and Pd6L3 trigonal prismatic assemblies are described. The selction of one species over the other has been achieved by carfeul choice of ancilliary ligands, which switch the dynamics of the Pd-N bonds such that a highly unusual and distorted smaller assembly can be kinetically trapped en route to the more energetically favourable larger species. Both assemblies provide promise as easy to access multicavity reaction vessels.	Aug 2020

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